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| CAS No.: | 1752-30-3 |
|---|---|
| Name: | Acetone thiosemicarbazone |
| Article Data: | 37 |
| Molecular Structure: | |
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| Formula: | C4H9N3S |
| Molecular Weight: | 131.202 |
| Synonyms: | Hydrazinecarbothioamide,2-(1-methylethylidene)-;Dimethyl ketone thiosemicarbazone;NSC711;Thiosemicarbazone acetone; |
| EINECS: | 217-137-9 |
| Density: | 1.19 g/cm3 |
| Melting Point: | 174-175 °C |
| Boiling Point: | 213.8 °C at 760 mmHg |
| Flash Point: | 83.1 °C |
| Appearance: | solid |
| Hazard Symbols: | R21:Harmful in contact with skin.; R25:Toxic if swallowed.; R26:Very toxic by inhalation.; |
| Risk Codes: | 21-25-26 |
| Safety: | 22-28-36/37/39 |
| Transport Information: | UN 2811 |
| PSA: | 82.50000 |
| LogP: | 1.30660 |
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Chemistry
The molecular structure of Acetone thiosemicarbazone (CAS NO.1752-30-3):
IUPAC Name: (Propan-2-ylideneamino)thiourea
Molecular Weight: 131.19936 g/mol
Molecular Formula: C4H9N3S
Density: 1.19 g/cm3
Melting Point: 174-175 °C
Boiling Point: 213.8 °C at 760 mmHg
Flash Point: 83.1 °C
Index of Refraction: 1.569
Molar Refractivity: 35.95 cm3
Molar Volume: 109.7 cm3
Surface Tension: 36.2 dyne/cm
Enthalpy of Vaporization: 45.01 kJ/mol
Vapour Pressure: 0.161 mmHg at 25 °C
XLogP3-AA: -0.2
H-Bond Donor: 2
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 131.051718
MonoIsotopic Mass: 131.051718
Topological Polar Surface Area: 50.4
Heavy Atom Count: 8
Canonical SMILES: CC(=NNC(=S)N)C
InChI: InChI=1S/C4H9N3S/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
InChIKey: FQUDPIIGGVBZEQ-UHFFFAOYSA-N
EINECS: 217-137-9
Classification Code: Agricultural Chemical; Experimental pesticide; Unspecified / Unclassified pesticide
Uses
Acetone thiosemicarbazone (CAS NO.1752-30-3) is used in the plastics industry in the manufacture of polyvinyl chloride (PVC) to terminate the polymerization process.
Toxicity Data With Reference
| 1. | orl-rat LDLo:10 mg/kg | NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),43. | ||
| 2. | ipr-mus LD50:23 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 122 (1958),110. |
Consensus Reports
EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.
Safety Profile
Risk Statements: 21-25-26
R21:Harmful in contact with skin.
R25 :Toxic if swallowed.
R26:Very toxic by inhalation.
Safety Statements: 22-28-36/37/39
S22:Do not breathe dust.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 2811
RTECS: AL7350000
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Specification
Acetone thiosemicarbazone (CAS NO.1752-30-3) is also named as 2-(1-Methylethylidene)hydrazinecarbothioamide ; AI3-22961 ; Acetone thiosemicarbazide ; Acetonethiosemicarbazone ; Acetonthiosemikarbazon ; Acetonthiosemikarbazon [Czech] ; HSDB 6422 ; Hydrazinecarbothioamide, 2-(1-methylethylidene)- ; NSC 711 ; Thiosemicarbazone acetone . Acetone thiosemicarbazone (CAS NO.1752-30-3) is solid. It may form toxic gases with acids, aldehydes, amides, carbamates, cyanides, inorganic fluorides, halogenated organics, isocyanates, ketones, metals, nitrides, peroxides, phenols, epoxides, acyl halides, and strong oxidizing or reducing agents. It also may form flammable gases with alkali metals. Explosive combination may occur with strong oxidizing agents, metal salts, peroxides, and sulfides. Acetone thiosemicarbazone can emit toxic fumes of oxides of sulfur and nitrogen when heated to decomposition. When heated to decomposition, Acetone thiosemicarbazone emits very toxic fumes of nitrogen oxides and sulfur oxides.